1-[[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid

C14H24N2O5 — CID 115434214

IUPAC1-[[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESCOC(=O)CCCN(C)C(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C14H24N2O5/c1-16(9-5-6-11(17)21-2)13(20)15-10-14(12(18)19)7-3-4-8-14/h3-10H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyDKAUBEKKVICXPA-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.23
Rot. Bonds7

About 1-[[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid

1-[[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115434214) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115434214
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name1-[[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESCOC(=O)CCCN(C)C(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C14H24N2O5/c1-16(9-5-6-11(17)21-2)13(20)15-10-14(12(18)19)7-3-4-8-14/h3-10H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyDKAUBEKKVICXPA-UHFFFAOYSA-N
XLogP1.23
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

1-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451070
1-[[[3-(dimethylamino)propyl-methylcarbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436923
1-[[[2-methoxyethyl(methyl)carbamoyl]amino]methyl]cycloheptane-1-carboxylic acid
CID 115444756
1-[[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 113309363
1-[[[5-hydroxypentyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 107201761
1-[[[2-ethoxyethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115437002
1-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446609
1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445339
methyl 4-[ethylcarbamoyl(methyl)amino]butanoate
CID 60970924
1-[[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434442
1-[[[cyclopropylmethyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436769
1-[[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446540

Frequently Asked Questions

What is the IUPAC name of 1-[[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid (CID 115434214) is 1-[[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid is COC(=O)CCCN(C)C(=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is DKAUBEKKVICXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-16(9-5-6-11(17)21-2)13(20)15-10-14(12(18)19)7-3-4-8-14/h3-10H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 1-[[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
1-[[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115434214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).